CID 89782

2,6-dichloro-4-(trichloromethyl)pyridine

Structural Information

Molecular Formula
C6H2Cl5N
SMILES
C1=C(C=C(N=C1Cl)Cl)C(Cl)(Cl)Cl
InChI
InChI=1S/C6H2Cl5N/c7-4-1-3(6(9,10)11)2-5(8)12-4/h1-2H
InChIKey
YNSFPJXGPWKOGD-UHFFFAOYSA-N
Compound name
2,6-dichloro-4-(trichloromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

262.86298 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.870256 149.4
[M+Na]+ 285.852198 159.0
[M-H]- 261.855704 146.6
[M+NH4]+ 280.896803 164.6
[M+K]+ 301.826138 153.9
[M+H-H2O]+ 245.860240 145.9
[M+HCOO]- 307.861181 145.1
[M+CH3COO]- 321.876831 194.5
[M+Na-2H]- 283.837646 152.0
[M]+ 262.86243142 148.2
[M]- 262.86352858 148.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe